Molecule ID: mol31430

SMILES: O=C(O)[C@H]1CCCC[C@H]1C(=O)NO

InChI: InChI=1S/C8H13NO4/c10-7(9-13)5-3-1-2-4-6(5)8(11)12/h5-6,13H,1-4H2,(H,9,10)(H,11,12)/t5-,6+/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.75 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization